Cargando…
Cryo-EM model validation recommendations based on outcomes of the 2019 EMDataResource challenge
This paper describes outcomes of the 2019 Cryo-EM Model Challenge. The goals were to (1) assess the quality of models that can be produced from cryogenic electron microscopy (cryo-EM) maps using current modeling software, (2) evaluate reproducibility of modeling results from different software devel...
Autores principales: | , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , |
---|---|
Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
Nature Publishing Group US
2021
|
Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7864804/ https://www.ncbi.nlm.nih.gov/pubmed/33542514 http://dx.doi.org/10.1038/s41592-020-01051-w |
_version_ | 1783647722568417280 |
---|---|
author | Lawson, Catherine L. Kryshtafovych, Andriy Adams, Paul D. Afonine, Pavel V. Baker, Matthew L. Barad, Benjamin A. Bond, Paul Burnley, Tom Cao, Renzhi Cheng, Jianlin Chojnowski, Grzegorz Cowtan, Kevin Dill, Ken A. DiMaio, Frank Farrell, Daniel P. Fraser, James S. Herzik, Mark A. Hoh, Soon Wen Hou, Jie Hung, Li-Wei Igaev, Maxim Joseph, Agnel P. Kihara, Daisuke Kumar, Dilip Mittal, Sumit Monastyrskyy, Bohdan Olek, Mateusz Palmer, Colin M. Patwardhan, Ardan Perez, Alberto Pfab, Jonas Pintilie, Grigore D. Richardson, Jane S. Rosenthal, Peter B. Sarkar, Daipayan Schäfer, Luisa U. Schmid, Michael F. Schröder, Gunnar F. Shekhar, Mrinal Si, Dong Singharoy, Abishek Terashi, Genki Terwilliger, Thomas C. Vaiana, Andrea Wang, Liguo Wang, Zhe Wankowicz, Stephanie A. Williams, Christopher J. Winn, Martyn Wu, Tianqi Yu, Xiaodi Zhang, Kaiming Berman, Helen M. Chiu, Wah |
author_facet | Lawson, Catherine L. Kryshtafovych, Andriy Adams, Paul D. Afonine, Pavel V. Baker, Matthew L. Barad, Benjamin A. Bond, Paul Burnley, Tom Cao, Renzhi Cheng, Jianlin Chojnowski, Grzegorz Cowtan, Kevin Dill, Ken A. DiMaio, Frank Farrell, Daniel P. Fraser, James S. Herzik, Mark A. Hoh, Soon Wen Hou, Jie Hung, Li-Wei Igaev, Maxim Joseph, Agnel P. Kihara, Daisuke Kumar, Dilip Mittal, Sumit Monastyrskyy, Bohdan Olek, Mateusz Palmer, Colin M. Patwardhan, Ardan Perez, Alberto Pfab, Jonas Pintilie, Grigore D. Richardson, Jane S. Rosenthal, Peter B. Sarkar, Daipayan Schäfer, Luisa U. Schmid, Michael F. Schröder, Gunnar F. Shekhar, Mrinal Si, Dong Singharoy, Abishek Terashi, Genki Terwilliger, Thomas C. Vaiana, Andrea Wang, Liguo Wang, Zhe Wankowicz, Stephanie A. Williams, Christopher J. Winn, Martyn Wu, Tianqi Yu, Xiaodi Zhang, Kaiming Berman, Helen M. Chiu, Wah |
author_sort | Lawson, Catherine L. |
collection | PubMed |
description | This paper describes outcomes of the 2019 Cryo-EM Model Challenge. The goals were to (1) assess the quality of models that can be produced from cryogenic electron microscopy (cryo-EM) maps using current modeling software, (2) evaluate reproducibility of modeling results from different software developers and users and (3) compare performance of current metrics used for model evaluation, particularly Fit-to-Map metrics, with focus on near-atomic resolution. Our findings demonstrate the relatively high accuracy and reproducibility of cryo-EM models derived by 13 participating teams from four benchmark maps, including three forming a resolution series (1.8 to 3.1 Å). The results permit specific recommendations to be made about validating near-atomic cryo-EM structures both in the context of individual experiments and structure data archives such as the Protein Data Bank. We recommend the adoption of multiple scoring parameters to provide full and objective annotation and assessment of the model, reflective of the observed cryo-EM map density. |
format | Online Article Text |
id | pubmed-7864804 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2021 |
publisher | Nature Publishing Group US |
record_format | MEDLINE/PubMed |
spelling | pubmed-78648042021-02-08 Cryo-EM model validation recommendations based on outcomes of the 2019 EMDataResource challenge Lawson, Catherine L. Kryshtafovych, Andriy Adams, Paul D. Afonine, Pavel V. Baker, Matthew L. Barad, Benjamin A. Bond, Paul Burnley, Tom Cao, Renzhi Cheng, Jianlin Chojnowski, Grzegorz Cowtan, Kevin Dill, Ken A. DiMaio, Frank Farrell, Daniel P. Fraser, James S. Herzik, Mark A. Hoh, Soon Wen Hou, Jie Hung, Li-Wei Igaev, Maxim Joseph, Agnel P. Kihara, Daisuke Kumar, Dilip Mittal, Sumit Monastyrskyy, Bohdan Olek, Mateusz Palmer, Colin M. Patwardhan, Ardan Perez, Alberto Pfab, Jonas Pintilie, Grigore D. Richardson, Jane S. Rosenthal, Peter B. Sarkar, Daipayan Schäfer, Luisa U. Schmid, Michael F. Schröder, Gunnar F. Shekhar, Mrinal Si, Dong Singharoy, Abishek Terashi, Genki Terwilliger, Thomas C. Vaiana, Andrea Wang, Liguo Wang, Zhe Wankowicz, Stephanie A. Williams, Christopher J. Winn, Martyn Wu, Tianqi Yu, Xiaodi Zhang, Kaiming Berman, Helen M. Chiu, Wah Nat Methods Analysis This paper describes outcomes of the 2019 Cryo-EM Model Challenge. The goals were to (1) assess the quality of models that can be produced from cryogenic electron microscopy (cryo-EM) maps using current modeling software, (2) evaluate reproducibility of modeling results from different software developers and users and (3) compare performance of current metrics used for model evaluation, particularly Fit-to-Map metrics, with focus on near-atomic resolution. Our findings demonstrate the relatively high accuracy and reproducibility of cryo-EM models derived by 13 participating teams from four benchmark maps, including three forming a resolution series (1.8 to 3.1 Å). The results permit specific recommendations to be made about validating near-atomic cryo-EM structures both in the context of individual experiments and structure data archives such as the Protein Data Bank. We recommend the adoption of multiple scoring parameters to provide full and objective annotation and assessment of the model, reflective of the observed cryo-EM map density. Nature Publishing Group US 2021-02-04 2021 /pmc/articles/PMC7864804/ /pubmed/33542514 http://dx.doi.org/10.1038/s41592-020-01051-w Text en © The Author(s) 2021 Open Access This article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license, and indicate if changes were made. The images or other third party material in this article are included in the article’s Creative Commons license, unless indicated otherwise in a credit line to the material. If material is not included in the article’s Creative Commons license and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this license, visit http://creativecommons.org/licenses/by/4.0/. |
spellingShingle | Analysis Lawson, Catherine L. Kryshtafovych, Andriy Adams, Paul D. Afonine, Pavel V. Baker, Matthew L. Barad, Benjamin A. Bond, Paul Burnley, Tom Cao, Renzhi Cheng, Jianlin Chojnowski, Grzegorz Cowtan, Kevin Dill, Ken A. DiMaio, Frank Farrell, Daniel P. Fraser, James S. Herzik, Mark A. Hoh, Soon Wen Hou, Jie Hung, Li-Wei Igaev, Maxim Joseph, Agnel P. Kihara, Daisuke Kumar, Dilip Mittal, Sumit Monastyrskyy, Bohdan Olek, Mateusz Palmer, Colin M. Patwardhan, Ardan Perez, Alberto Pfab, Jonas Pintilie, Grigore D. Richardson, Jane S. Rosenthal, Peter B. Sarkar, Daipayan Schäfer, Luisa U. Schmid, Michael F. Schröder, Gunnar F. Shekhar, Mrinal Si, Dong Singharoy, Abishek Terashi, Genki Terwilliger, Thomas C. Vaiana, Andrea Wang, Liguo Wang, Zhe Wankowicz, Stephanie A. Williams, Christopher J. Winn, Martyn Wu, Tianqi Yu, Xiaodi Zhang, Kaiming Berman, Helen M. Chiu, Wah Cryo-EM model validation recommendations based on outcomes of the 2019 EMDataResource challenge |
title | Cryo-EM model validation recommendations based on outcomes of the 2019 EMDataResource challenge |
title_full | Cryo-EM model validation recommendations based on outcomes of the 2019 EMDataResource challenge |
title_fullStr | Cryo-EM model validation recommendations based on outcomes of the 2019 EMDataResource challenge |
title_full_unstemmed | Cryo-EM model validation recommendations based on outcomes of the 2019 EMDataResource challenge |
title_short | Cryo-EM model validation recommendations based on outcomes of the 2019 EMDataResource challenge |
title_sort | cryo-em model validation recommendations based on outcomes of the 2019 emdataresource challenge |
topic | Analysis |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7864804/ https://www.ncbi.nlm.nih.gov/pubmed/33542514 http://dx.doi.org/10.1038/s41592-020-01051-w |
work_keys_str_mv | AT lawsoncatherinel cryoemmodelvalidationrecommendationsbasedonoutcomesofthe2019emdataresourcechallenge AT kryshtafovychandriy cryoemmodelvalidationrecommendationsbasedonoutcomesofthe2019emdataresourcechallenge AT adamspauld cryoemmodelvalidationrecommendationsbasedonoutcomesofthe2019emdataresourcechallenge AT afoninepavelv cryoemmodelvalidationrecommendationsbasedonoutcomesofthe2019emdataresourcechallenge AT bakermatthewl cryoemmodelvalidationrecommendationsbasedonoutcomesofthe2019emdataresourcechallenge AT baradbenjamina cryoemmodelvalidationrecommendationsbasedonoutcomesofthe2019emdataresourcechallenge AT bondpaul cryoemmodelvalidationrecommendationsbasedonoutcomesofthe2019emdataresourcechallenge AT burnleytom cryoemmodelvalidationrecommendationsbasedonoutcomesofthe2019emdataresourcechallenge AT caorenzhi cryoemmodelvalidationrecommendationsbasedonoutcomesofthe2019emdataresourcechallenge AT chengjianlin cryoemmodelvalidationrecommendationsbasedonoutcomesofthe2019emdataresourcechallenge AT chojnowskigrzegorz cryoemmodelvalidationrecommendationsbasedonoutcomesofthe2019emdataresourcechallenge AT cowtankevin cryoemmodelvalidationrecommendationsbasedonoutcomesofthe2019emdataresourcechallenge AT dillkena cryoemmodelvalidationrecommendationsbasedonoutcomesofthe2019emdataresourcechallenge AT dimaiofrank cryoemmodelvalidationrecommendationsbasedonoutcomesofthe2019emdataresourcechallenge AT farrelldanielp cryoemmodelvalidationrecommendationsbasedonoutcomesofthe2019emdataresourcechallenge AT fraserjamess cryoemmodelvalidationrecommendationsbasedonoutcomesofthe2019emdataresourcechallenge AT herzikmarka cryoemmodelvalidationrecommendationsbasedonoutcomesofthe2019emdataresourcechallenge AT hohsoonwen cryoemmodelvalidationrecommendationsbasedonoutcomesofthe2019emdataresourcechallenge AT houjie cryoemmodelvalidationrecommendationsbasedonoutcomesofthe2019emdataresourcechallenge AT hungliwei cryoemmodelvalidationrecommendationsbasedonoutcomesofthe2019emdataresourcechallenge AT igaevmaxim cryoemmodelvalidationrecommendationsbasedonoutcomesofthe2019emdataresourcechallenge AT josephagnelp cryoemmodelvalidationrecommendationsbasedonoutcomesofthe2019emdataresourcechallenge AT kiharadaisuke cryoemmodelvalidationrecommendationsbasedonoutcomesofthe2019emdataresourcechallenge AT kumardilip cryoemmodelvalidationrecommendationsbasedonoutcomesofthe2019emdataresourcechallenge AT mittalsumit cryoemmodelvalidationrecommendationsbasedonoutcomesofthe2019emdataresourcechallenge AT monastyrskyybohdan cryoemmodelvalidationrecommendationsbasedonoutcomesofthe2019emdataresourcechallenge AT olekmateusz cryoemmodelvalidationrecommendationsbasedonoutcomesofthe2019emdataresourcechallenge AT palmercolinm cryoemmodelvalidationrecommendationsbasedonoutcomesofthe2019emdataresourcechallenge AT patwardhanardan cryoemmodelvalidationrecommendationsbasedonoutcomesofthe2019emdataresourcechallenge AT perezalberto cryoemmodelvalidationrecommendationsbasedonoutcomesofthe2019emdataresourcechallenge AT pfabjonas cryoemmodelvalidationrecommendationsbasedonoutcomesofthe2019emdataresourcechallenge AT pintiliegrigored cryoemmodelvalidationrecommendationsbasedonoutcomesofthe2019emdataresourcechallenge AT richardsonjanes cryoemmodelvalidationrecommendationsbasedonoutcomesofthe2019emdataresourcechallenge AT rosenthalpeterb cryoemmodelvalidationrecommendationsbasedonoutcomesofthe2019emdataresourcechallenge AT sarkardaipayan cryoemmodelvalidationrecommendationsbasedonoutcomesofthe2019emdataresourcechallenge AT schaferluisau cryoemmodelvalidationrecommendationsbasedonoutcomesofthe2019emdataresourcechallenge AT schmidmichaelf cryoemmodelvalidationrecommendationsbasedonoutcomesofthe2019emdataresourcechallenge AT schrodergunnarf cryoemmodelvalidationrecommendationsbasedonoutcomesofthe2019emdataresourcechallenge AT shekharmrinal cryoemmodelvalidationrecommendationsbasedonoutcomesofthe2019emdataresourcechallenge AT sidong cryoemmodelvalidationrecommendationsbasedonoutcomesofthe2019emdataresourcechallenge AT singharoyabishek cryoemmodelvalidationrecommendationsbasedonoutcomesofthe2019emdataresourcechallenge AT terashigenki cryoemmodelvalidationrecommendationsbasedonoutcomesofthe2019emdataresourcechallenge AT terwilligerthomasc cryoemmodelvalidationrecommendationsbasedonoutcomesofthe2019emdataresourcechallenge AT vaianaandrea cryoemmodelvalidationrecommendationsbasedonoutcomesofthe2019emdataresourcechallenge AT wangliguo cryoemmodelvalidationrecommendationsbasedonoutcomesofthe2019emdataresourcechallenge AT wangzhe cryoemmodelvalidationrecommendationsbasedonoutcomesofthe2019emdataresourcechallenge AT wankowiczstephaniea cryoemmodelvalidationrecommendationsbasedonoutcomesofthe2019emdataresourcechallenge AT williamschristopherj cryoemmodelvalidationrecommendationsbasedonoutcomesofthe2019emdataresourcechallenge AT winnmartyn cryoemmodelvalidationrecommendationsbasedonoutcomesofthe2019emdataresourcechallenge AT wutianqi cryoemmodelvalidationrecommendationsbasedonoutcomesofthe2019emdataresourcechallenge AT yuxiaodi cryoemmodelvalidationrecommendationsbasedonoutcomesofthe2019emdataresourcechallenge AT zhangkaiming cryoemmodelvalidationrecommendationsbasedonoutcomesofthe2019emdataresourcechallenge AT bermanhelenm cryoemmodelvalidationrecommendationsbasedonoutcomesofthe2019emdataresourcechallenge AT chiuwah cryoemmodelvalidationrecommendationsbasedonoutcomesofthe2019emdataresourcechallenge |